SCHEMBL7302804

SCHEMBL7302804

COC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(C(=N)NC(=O)OCOC(=O)C(C)C)cc3)cc2)NC1=O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
IRAK4 Q9NWZ3 6/20 0.32
SRD5A2 P31213 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HRH3 Q9Y5N1 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7304269 0.92 ITGB3 (0.54) ITGB3ITGA2BIRAK4KDM4E
SCHEMBL7304690 0.91 ITGB3 (0.53) ITGB3ITGA2BIRAK4KDM4E
Lefradafiban SCHEMBL7080546 0.90 ITGB3 (0.62) ITGB3ITGA2BIRAK4KDM4EHRH3
Lefradafiban SCHEMBL50399 0.90 ITGB3 (0.62) ITGB3ITGA2BIRAK4KDM4EHRH3
SCHEMBL7313343 0.90 ITGB3 (0.52) ITGB3ITGA2BKDM4E
SCHEMBL7281873 0.90 ITGB3 (0.55) ITGB3ITGA2BIRAK4KDM4EHRH3
SCHEMBL7284195 0.90 ITGB3 (0.57) ITGB3ITGA2BIRAK4SRD5A2KDM4E
SCHEMBL7304612 0.89 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL7283791 0.88 ITGB3 (0.57) ITGB3ITGA2BIRAK4KDM4EHRH3
SCHEMBL7308125 0.87 ITGB3 (0.52) ITGB3ITGA2BIRAK4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567966-B1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof BOEHRINGER INGELHEIM PHARMA (DE) 1998-09-02 EP disclosed
US-5576444-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1996-11-19 US disclosed
EP-0567966-A1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof Dr. Karl Thomae GmbH (DE) 1993-11-03 EP disclosed